2-tert-butyl-6-methyl-phenolate; titanium(4+)

Systemtic Name: 2-tert-butyl-6-methyl-phenolate; titanium(4+) Openeye Name: 2-tert-butyl-6-methyl-phenolate; titanium(4+) CAS Name: 2-tert-butyl-6-methylphenolate; titanium(4+) IUPAC Name: 2-tert-butyl-6-methylphenolate; titanium(4+) Traditional Name: 2-tert-butyl-6-methyl-phenolate; titanium(4+) Formula: C44H60O4Ti MolecularWeight: 700.8118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)[O-].CC1=C(C(=CC=C1)C(C)(C)C)[O-].CC1=C(C(=CC=C1)C(C)(C)C)[O-].CC1=C(C(=CC=C1)C(C)(C)C)[O-].[Ti+4]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)[O-].CC1=C(C(=CC=C1)C(C)(C)C)[O-].CC1=C(C(=CC=C1)C(C)(C)C)[O-].CC1=C(C(=CC=C1)C(C)(C)C)[O-].[Ti+4]

InChI

InChI=1S/4C11H16O.Ti/c4*1-8-6-5-7-9(10(8)12)11(2,3)4;/h4*5-7,12H,1-4H3;/q;;;;+4/p-4